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Chemical ID: 4343998
Chemical ID:
4343998
Name [?]:
4-methyl-2-tritylamino-pentanoic acid
SMILES [?]:
CC(C)CC(C(=O)O)NC(c1ccccc1)(c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C25H27NO2/c1-19(2)18-23(24(27)28)26-25(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19,23,26H,18H2,1-2H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,3,14,20,26,13,15,19,21,25,27,12,16,18,22,24,28,4,2,11,17,23,5,6,10,9,7,8/E:(1,2)(3,4,5)(6,7,8,9,10,11)(12,13,14,15,16,17)(20,21,22)(27,28)/rA:28cCCCCCCOONCCCCCCCCCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s5;s9;s10;s11;d12;s13;d14;d11s15;s10;s17;d18;s19;d20;d17s21;s10;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H27NO2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.8455 |
Area: | 535.709 |
Solvation: | -2.54721 |
Coulombic: | -42.6851 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 373.487 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 6.42 |
LogP (Chemaxon): | 4.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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